Second-harmonic generation in two hybrid organic—inorganic metal chlorides based on L-thioproline ligand

Abstract

Single crystals of (L-C4H8NO2S)CuCl2 (1) and (L- C4H7NO2S)2ZnCl2 (2), were obtained using L-thioproline molecules as terminal ligands. The two hybrid metal chlorides exhibit different low-dimensional structures and efficient second-harmonic generation (SHG) efficiencies of 0.2 and 1.6 times that of KH2PO4, respectively. Density functional theory calculations were performed to unravel the origin of the relatively stronger SHG response of compound 2.